CID 153740226

5-chloro-4-iodo-1-methyl-1h-1,2,3-triazole

Structural Information

Molecular Formula

C₃H₃ClIN₃

SMILES

CN1C(=C(N=N1)I)Cl

InChI

InChI=1S/C3H3ClIN3/c1-8-2(4)3(5)6-7-8/h1H3

InChIKey

OONCOGIZXMLVOM-UHFFFAOYSA-N

Compound name

5-chloro-4-iodo-1-methyltriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.90602 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.91330	121.5
[M+Na]+	265.89524	126.6
[M-H]-	241.89874	115.0
[M+NH4]+	260.93984	137.5
[M+K]+	281.86918	129.9
[M+H-H2O]+	225.90328	111.7
[M+HCOO]-	287.90422	135.2
[M+CH3COO]-	301.91987	179.8
[M+Na-2H]-	263.88069	116.8
[M]+	242.90547	121.4
[M]-	242.90657	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.